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Title: Materials Data on CaHCl by Materials Project

Abstract

CaHCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to four equivalent H1- and five equivalent Cl1- atoms. All Ca–H bond lengths are 2.33 Å. There are four shorter (2.92 Å) and one longer (3.21 Å) Ca–Cl bond lengths. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing HCa4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ca2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23859
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaHCl; Ca-Cl-H
OSTI Identifier:
1199767
DOI:
https://doi.org/10.17188/1199767

Citation Formats

The Materials Project. Materials Data on CaHCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199767.
The Materials Project. Materials Data on CaHCl by Materials Project. United States. doi:https://doi.org/10.17188/1199767
The Materials Project. 2020. "Materials Data on CaHCl by Materials Project". United States. doi:https://doi.org/10.17188/1199767. https://www.osti.gov/servlets/purl/1199767. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199767,
title = {Materials Data on CaHCl by Materials Project},
author = {The Materials Project},
abstractNote = {CaHCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to four equivalent H1- and five equivalent Cl1- atoms. All Ca–H bond lengths are 2.33 Å. There are four shorter (2.92 Å) and one longer (3.21 Å) Ca–Cl bond lengths. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing HCa4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ca2+ atoms.},
doi = {10.17188/1199767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}